Basic information
- Standard SMILES
C=C/C(=C/C1(C)CCCC(C)(C)C1)C1C2OC(=O)CC1C(OC(C)=O)O2- InChIKey
GXSYTMVMFKTOPV-KAMYIIQDSA-N- Molecular formula
- C21H30O5
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.20932406
Names & identifiers
- Preferred name
- Aplytangene 1
- IUPAC
- [3-oxo-8-[(1Z)-1-(1,3,3-trimethylcyclohexyl)buta-1,3-dien-2-yl]-2,7-dioxabicyclo[3.2.1]octan-6-yl] acetate
Names & synonyms
aplytangene 1
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 634
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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